data_MRP # _chem_comp.id MRP _chem_comp.name 3-O-methyl-alpha-L-rhamnopyranose _chem_comp.type "L-saccharide, alpha linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C7 H14 O5" _chem_comp.mon_nstd_parent_comp_id RAM _chem_comp.pdbx_synonyms ;3-O-METHYL-ALPHA-L-RHAMNOPYRANOSIDE; 6-deoxy-3-O-methyl-alpha-L-mannopyranose; 3-O-methyl-alpha-L-rhamnose; 3-O-methyl-L-rhamnose; 3-O-methyl-rhamnose ; _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _chem_comp.pdbx_modified_date 2020-07-17 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 178.183 _chem_comp.one_letter_code ? _chem_comp.three_letter_code MRP _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code ? _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI # # loop_ _pdbx_chem_comp_synonyms.ordinal _pdbx_chem_comp_synonyms.comp_id _pdbx_chem_comp_synonyms.name _pdbx_chem_comp_synonyms.provenance _pdbx_chem_comp_synonyms.type 1 MRP 3-O-METHYL-ALPHA-L-RHAMNOPYRANOSIDE PDB ? 2 MRP 6-deoxy-3-O-methyl-alpha-L-mannopyranose PDB ? 3 MRP 3-O-methyl-alpha-L-rhamnose PDB ? 4 MRP 3-O-methyl-L-rhamnose PDB ? 5 MRP 3-O-methyl-rhamnose PDB ? # # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.alt_atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_align _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.model_Cartn_x _chem_comp_atom.model_Cartn_y _chem_comp_atom.model_Cartn_z _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal _chem_comp_atom.pdbx_component_atom_id _chem_comp_atom.pdbx_component_comp_id _chem_comp_atom.pdbx_ordinal MRP C1 C1 C 0 1 N N R -9.590 -2.821 3.136 -1.667 -0.193 -0.706 C1 MRP 1 MRP C2 C2 C 0 1 N N R -9.197 -4.330 3.235 -1.223 0.231 0.695 C2 MRP 2 MRP C3 C3 C 0 1 N N R -9.220 -4.750 4.725 0.219 -0.235 0.924 C3 MRP 3 MRP C4 C4 C 0 1 N N S -10.593 -4.428 5.364 1.093 0.280 -0.224 C4 MRP 4 MRP C5 C5 C 0 1 N N S -10.940 -2.936 5.125 0.472 -0.150 -1.555 C5 MRP 5 MRP C6 C6 C 0 1 N N N -12.361 -2.572 5.551 1.354 0.331 -2.708 C6 MRP 6 MRP C7 C7 C 0 1 N N N -7.690 -6.424 5.568 0.384 -0.679 3.169 C7 MRP 7 MRP O1 O1 O 0 1 N Y N -8.619 -2.059 3.836 -1.574 -1.614 -0.819 O1 MRP 8 MRP O2 O2 O 0 1 N N N -10.031 -5.216 2.466 -1.285 1.654 0.807 O2 MRP 9 MRP O3 O3 O 0 1 N N N -8.905 -6.133 4.895 0.700 0.286 2.164 O3 MRP 10 MRP O4 O4 O 0 1 N N N -10.640 -4.737 6.764 2.407 -0.267 -0.108 O4 MRP 11 MRP O5 O5 O 0 1 N N N -10.852 -2.614 3.749 -0.829 0.416 -1.687 O5 MRP 12 MRP H1 H1 H 0 1 N N N -9.662 -2.518 2.097 -2.699 0.116 -0.868 H1 MRP 13 MRP H2 H2 H 0 1 N N N -8.149 -4.424 2.928 -1.879 -0.222 1.438 H2 MRP 14 MRP H3 H3 H 0 1 N N N -8.468 -4.133 5.217 0.251 -1.324 0.948 H3 MRP 15 MRP H4 H4 H 0 1 N N N -11.355 -5.016 4.842 1.146 1.368 -0.182 H4 MRP 16 MRP H5 H5 H 0 1 N N N -10.244 -2.308 5.679 0.398 -1.237 -1.585 H5 MRP 17 MRP H61 H61 H 0 1 N N N -13.097 -3.173 5.019 0.913 0.025 -3.656 H61 MRP 18 MRP H62 H62 H 0 1 N N N -12.503 -2.726 6.621 1.431 1.418 -2.677 H62 MRP 19 MRP H63 H63 H 0 1 N N N -12.557 -1.524 5.331 2.349 -0.104 -2.612 H63 MRP 20 MRP H71 H71 H 0 1 N N N -6.832 -6.017 5.029 0.734 -0.323 4.138 H71 MRP 21 MRP H72 H72 H 0 1 N N N -7.680 -6.022 6.584 -0.694 -0.826 3.204 H72 MRP 22 MRP H73 H73 H 0 1 N N N -7.558 -7.503 5.646 0.872 -1.624 2.931 H73 MRP 23 MRP HO1 HO1 H 0 1 N Y N -8.857 -1.141 3.775 -1.867 -1.843 -1.712 HO1 MRP 24 MRP HO2 HO2 H 0 1 N Y N -9.767 -5.203 1.536 -2.205 1.906 0.648 HO2 MRP 25 MRP HO4 HO4 H 0 1 N Y N -10.338 -5.639 6.892 2.922 0.081 -0.848 HO4 MRP 26 # # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal MRP C1 C2 SING N N 1 MRP C1 O1 SING N N 2 MRP C1 O5 SING N N 3 MRP C1 H1 SING N N 4 MRP C2 C3 SING N N 5 MRP C2 O2 SING N N 6 MRP C2 H2 SING N N 7 MRP C3 C4 SING N N 8 MRP C3 O3 SING N N 9 MRP C3 H3 SING N N 10 MRP C4 C5 SING N N 11 MRP C4 O4 SING N N 12 MRP C4 H4 SING N N 13 MRP C5 C6 SING N N 14 MRP C5 O5 SING N N 15 MRP C5 H5 SING N N 16 MRP C6 H61 SING N N 17 MRP C6 H62 SING N N 18 MRP C6 H63 SING N N 19 MRP C7 O3 SING N N 20 MRP C7 H71 SING N N 21 MRP C7 H72 SING N N 22 MRP C7 H73 SING N N 23 MRP O1 HO1 SING N N 24 MRP O2 HO2 SING N N 25 MRP O4 HO4 SING N N 26 # # loop_ _pdbx_chem_comp_descriptor.comp_id _pdbx_chem_comp_descriptor.type _pdbx_chem_comp_descriptor.program _pdbx_chem_comp_descriptor.program_version _pdbx_chem_comp_descriptor.descriptor MRP SMILES ACDLabs 10.04 "O(C1C(O)C(OC(O)C1O)C)C" MRP SMILES_CANONICAL CACTVS 3.341 "CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O)[C@@H]1O" MRP SMILES CACTVS 3.341 "CO[CH]1[CH](O)[CH](C)O[CH](O)[CH]1O" MRP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OC)O" MRP SMILES "OpenEye OEToolkits" 1.5.0 "CC1C(C(C(C(O1)O)O)OC)O" MRP InChI InChI 1.03 "InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m0/s1" MRP InChIKey InChI 1.03 OEKPKBBXXDGXNB-PAMBMQIZSA-N # # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier MRP "SYSTEMATIC NAME" ACDLabs 10.04 6-deoxy-3-O-methyl-alpha-L-mannopyranose MRP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R,3R,4R,5S,6S)-4-methoxy-6-methyl-oxane-2,3,5-triol" MRP "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-L-Rhap3OMe # _pdbx_chem_comp_related.comp_id MRP _pdbx_chem_comp_related.related_comp_id RAM _pdbx_chem_comp_related.relationship_type "Carbohydrate core" _pdbx_chem_comp_related.details ? # # loop_ _pdbx_chem_comp_atom_related.ordinal _pdbx_chem_comp_atom_related.comp_id _pdbx_chem_comp_atom_related.atom_id _pdbx_chem_comp_atom_related.related_comp_id _pdbx_chem_comp_atom_related.related_atom_id _pdbx_chem_comp_atom_related.related_type 1 MRP C1 RAM C1 "Carbohydrate core" 2 MRP C2 RAM C2 "Carbohydrate core" 3 MRP C3 RAM C3 "Carbohydrate core" 4 MRP C4 RAM C4 "Carbohydrate core" 5 MRP C5 RAM C5 "Carbohydrate core" 6 MRP C6 RAM C6 "Carbohydrate core" 7 MRP O1 RAM O1 "Carbohydrate core" 8 MRP O2 RAM O2 "Carbohydrate core" 9 MRP O3 RAM O3 "Carbohydrate core" 10 MRP O4 RAM O4 "Carbohydrate core" 11 MRP O5 RAM O5 "Carbohydrate core" 12 MRP H1 RAM H1 "Carbohydrate core" 13 MRP H2 RAM H2 "Carbohydrate core" 14 MRP H3 RAM H3 "Carbohydrate core" 15 MRP H4 RAM H4 "Carbohydrate core" 16 MRP H5 RAM H5 "Carbohydrate core" 17 MRP H61 RAM H61 "Carbohydrate core" 18 MRP H62 RAM H62 "Carbohydrate core" 19 MRP H63 RAM H63 "Carbohydrate core" 20 MRP HO1 RAM HO1 "Carbohydrate core" 21 MRP HO2 RAM HO2 "Carbohydrate core" 22 MRP HO4 RAM HO4 "Carbohydrate core" # # loop_ _pdbx_chem_comp_feature.comp_id _pdbx_chem_comp_feature.type _pdbx_chem_comp_feature.value _pdbx_chem_comp_feature.source _pdbx_chem_comp_feature.support MRP "CARBOHYDRATE ISOMER" L PDB ? MRP "CARBOHYDRATE RING" pyranose PDB ? MRP "CARBOHYDRATE ANOMER" alpha PDB ? MRP "CARBOHYDRATE PRIMARY CARBONYL GROUP" aldose PDB ? # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site MRP "Create component" 1999-07-08 EBI MRP "Modify descriptor" 2011-06-04 RCSB MRP "Other modification" 2020-07-03 RCSB MRP "Modify parent residue" 2020-07-17 RCSB MRP "Modify name" 2020-07-17 RCSB MRP "Modify synonyms" 2020-07-17 RCSB MRP "Modify internal type" 2020-07-17 RCSB MRP "Modify linking type" 2020-07-17 RCSB MRP "Modify leaving atom flag" 2020-07-17 RCSB ##